8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C12H13ClN2 — CID 19615

IUPAC8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCN1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyKFCWIHUDWIRLEE-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.81
Rot. Bonds

About 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 19615) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID19615
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCN1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyKFCWIHUDWIRLEE-UHFFFAOYSA-N
XLogP2.81
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 19615) is 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is CN1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is KFCWIHUDWIRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 220.70 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 19615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).